10967/188 - QDB Compounds

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Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:4
Name:Octachlorodibenzofuran
Description:
Labels:
CAS:39001-02-0
InChi Code:InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-11.59

experimental value

-11.14

Eq.1: General solubility equation (Test set to verify GSE)

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